bulk:  Al fcc 4.05
subst:  Al 3.353
v1: 8303.765625
n1: 500
v1pa: 16.60753125
ene0: -1676.5
ene0pa: -3.353
subst n: 13
ene1nm: -1676.5
ene1nmf: 2.27373675443e-13
ene2m: -1676.5
ene2mf: 2.27373675443e-13
ene3v: -1676.5
ene3vf: 2.27373675443e-13
esubf: 2.27373675443e-13
V4: 8303.765625
vintf:  16.60753125
vintfr:  1.0
